SCHEMBL19459031

SCHEMBL19459031

NC1CCN(c2ccnc(NCc3ccccn3)n2)C1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.65
HRH3 Q9Y5N1 6/20 0.65
OGA O60502 6/20 0.59
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
SLC6A2 P23975 2/20 0.48
HTR1D P28221 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
HRH2 P25021 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTR5A P47898 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1589282 1.00 HRH4 (0.65) HRH4HRH3OGAADRA2BADRA2C
SCHEMBL847331 1.00 HRH4 (0.65) HRH4HRH3OGAADRA2BADRA2C
SCHEMBL1588714 0.87 HRH4 (0.69) HRH4HRH3OGAADRA2BADRA2C
SCHEMBL860554 0.84 OGA (0.60) HRH4HRH3OGAADRA2BADRA2C
SCHEMBL1589173 0.84 HRH4 (0.67) HRH4HRH3OGAADRA2BADRA2C
SCHEMBL1822888 0.84 HRH4 (0.67) HRH4HRH3OGAADRA2BADRA2C
SCHEMBL860555 0.84 OGA (0.60) HRH4HRH3OGAADRA2BADRA2C
SCHEMBL1822887 0.84 HRH4 (0.67) HRH4HRH3OGAADRA2BADRA2C
SCHEMBL846741 0.82 OGA (0.73) HRH4HRH3OGAADRA2BADRA2C
SCHEMBL13574641 0.81 OGA (0.61) HRH4HRH3OGAADRA2BADRA2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298022-A1 Diamino-Pyridine, Pyrimidine, and Pyridazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170298022-A1 Diamino-Pyridine, Pyrimidine, and Pyridazine Modulators of the Histamine H4 Receptor HRH4, HRH3, HRH1 HRH4 1/4885HRH3 2/4885OGA 4864/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.